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1-(2-Thienyl)-3-(4-chlorophenyl)-2-propen-1-one, commonly known as Thiofen, is a chemical compound characterized by its molecular formula C14H9ClOS. Thiofen is a yellowish crystalline solid that exhibits solubility in organic solvents but is insoluble in water. Its unique aromatic and heterocyclic properties make it a valuable component in the synthesis of pharmaceuticals and agrochemicals. Additionally, Thiofen has garnered interest for its potential antiviral and anticancer properties, further expanding its applications in the scientific community.

6028-96-2

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6028-96-2 Usage

Uses

Used in Pharmaceutical Synthesis:
Thiofen is utilized as a key intermediate in the production of various pharmaceutical compounds. Its aromatic and heterocyclic nature allows for the creation of a wide range of medicinal agents, contributing to the development of novel treatments for various health conditions.
Used in Agrochemical Production:
In the agrochemical industry, Thiofen serves as a crucial component in the synthesis of various agrochemicals. Its incorporation into these products aids in the development of effective solutions for pest control and crop protection, ultimately supporting agricultural productivity.
Used in Organic Chemistry:
As a versatile building block in organic chemistry, Thiofen is employed in the production of a diverse array of chemical compounds. Its unique properties enable the synthesis of complex molecules, further expanding the scope of chemical research and development.
Used in Antiviral Research:
Thiofen has been studied for its potential antiviral properties, making it a promising candidate for the development of new antiviral agents. Its incorporation into pharmaceutical research could lead to the creation of novel treatments for viral infections.
Used in Anticancer Research:
Similarly, Thiofen's potential anticancer properties have attracted attention in the scientific community. Its use in the development of new cancer treatments could contribute to the advancement of oncological therapies and improve patient outcomes.

Check Digit Verification of cas no

The CAS Registry Mumber 6028-96-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,0,2 and 8 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 6028-96:
(6*6)+(5*0)+(4*2)+(3*8)+(2*9)+(1*6)=92
92 % 10 = 2
So 6028-96-2 is a valid CAS Registry Number.

6028-96-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(4-chlorophenyl)-1-(thiophen-2-yl)prop-2-en-1-one

1.2 Other means of identification

Product number -
Other names 1-(2-THIENYL)-3-(4-CHLOROPHENYL)-2-PROPEN-1-ONE

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:6028-96-2 SDS

6028-96-2Relevant academic research and scientific papers

Structural, photoluminescence, physical, optical limiting, and hirshfeld surface analysis of polymorphic chlorophenyl organic chalcone derivative for optoelectronic applications

D, Haleshappa,Bairy, Raghavendra,A, Jayarama,Quah, Ching Kheng,Kwong, Huey Chong,Patil, Parutagouda Shankaragouda

, (2021)

The polymorphic molecule of (E)-1-(thiophen-2-yl)-3-(4-chlorophenyl) prop-2-en-1-one (2AT4C) was synthesized and grown its single crystals using slow evaporation solution growth technique. The molecular geometry and its structural deviations are studied u

DNA interaction, in vivo and in vitro cytotoxicity, reactive oxygen species, lipid peroxidation of –N, S donor Re(I) metal complexes

Varma, Reena R.,Pandya, Juhee G.,Sharma, Jyoti,Pathak, Chandramani,Patel, Mohan N.

, p. 687 - 699 (2020/02/13)

Abstract: N, S donor ligands (L1–L5){L1–L5 = 1,5-bis(4-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole (L1), 1-(4-bromophenyl)-5-(4-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole (L2), 5-(4-chlorophenyl)-3-(thiophen-2-yl)-1-(p-tolyl)-4,5-dihydro-1H-pyrazole (L3), 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole (L4), 5-(4-chlorophenyl)-1-(4-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole (L5)} were synthesized by Claisen–Schmidt condensation and characterized by spectrometric methods. The complexes (I–V) were synthesized by ligand combination followed by metal chelation. The binding of the rhenium complexes to Herrin sperm DNA was monitored by UV spectroscopy and viscosity measurements. The groove binding was suggested as the most possible mode, and the Kb values of the complexes were calculated. The mode of interaction was furthermore confirmed by molecular docking. Brine shrimp lethality and Saccharomyces cerevisiae cytotoxicity against the eukaryotic and prokaryotic cells showed the toxic nature of the synthesized compounds. All compounds were found active against S. cerevisiae, which was confirmed by increased ROS production, and DNA damage as compared to untreated yeast cell culture. The oxidative harm to cell structures was affirmed by lipid peroxidation. An antimicrobial study was carried out by estimating minimum inhibitory concentration against two Gram-positive and three Gram-negative bacteria. All complexes show good antiproliferative activity against the HCT 116 cell line. All synthesized complexes are biologically more active than the corresponding ligands. Graphic abstract: [Figure not available: see fulltext.]

Synthesis, Characterization, Biological Evaluation and Molecular Docking Studies of Some Oxazinyl-Thiazolidinone Derivatives

Rajalakshmi, Ramarajan,Santhi, Rajavel,Elakkiya, Thangaraj

, p. 2125 - 2129 (2020/09/16)

A series of new 4-thiazolidinone derivatives of 2-(4-chlorophenyl)-3-(6-(thiophen-2-yl)-4-p-tolyl-4H-1,3-oxazin-2-yl)-thiazolidin-4-one (7h-m) are synthesized because of its wide range of biological activities.1H & 13C NMR, IR studie

Divergent Synthesis and Evaluation of the in vitro Cytotoxicity Profiles of 3,4-Ethylenedioxythiophenyl-2-propen-1-one Analogues

Karunakaran, Jayachandran,Dhatchana Moorthy, Nachiappan,Chowdhury, Somenath Roy,Iqbal, Saleem,Majumder, Hemanta K.,Gunasekaran, Krishnasamy,Vellaichamy, Elangovan,Mohanakrishnan, Arasambattu K.

, p. 1418 - 1430 (2019/08/07)

A new series of 3,4-ethylenedioxythiophene (EDOT)-appended propenones were prepared by condensation reaction and their in vitro cytotoxicity effects were evaluated against five human cancer cell lines. Preliminary structure–activity relationships of EDOT-

Studies of NMR Chemical Shifts of Chalcone Derivatives of Five-membered Monoheterocycles and Determination of Aromaticity Indices

Jeong, Eun Jeong,Lee, In-Sook Han

, p. 668 - 673 (2019/07/12)

A series of the chalcone derivatives of the five-membered monoheterocyclic compounds, (E)-1-aryl-3-heteroarylpropen-1-ones, were prepared by aldol condensation of the corresponding aldehydes of thiophene, pyrrole, and furan with m- and p-substituted acetophenones. Similar condensation of the acetyl compounds of the heterocycles with m- and p-substituted benzaldehydes gave another series of the chalcone derivatives, (E)-1-heteroaryl-3-arylpropen-1-ones. The 13C chemical shift values (δC) of the chalcone derivatives were determined in order to find if they correlated with the Hammett σ values. A good correlation, especially for the β-C for both series, was found for the 13C chemical shift values (δC) of the chalcone derivatives with the Hammett σ values. The chemical shift values of the β-C of the heterocyclic compounds were plotted against those of the benzene derivatives. The resulting slopes were found to be close to the values of the aromaticity indices.

Discovery of Novel Approach for Regioselective Synthesis of Thioxotriaza-Spiro Derivatives via Oxalic Acid

Gopinatha, Vindya K.,Mantelingu, Kempegowda,Raghavan, Sathees C.,Rangappa, Kanchugarakoppal S.,Swarup, Hassan A.

supporting information, p. 2004 - 2009 (2019/10/28)

A vital approach for the synthesis of a range of novel thioxotriaza-spiro derivatives is described. These new heterocyclic systems are obtained via oxalic acid catalyzed reaction of α,β-unsaturated ketones in the presence of 5,6-diamino-2-mercaptopyrimidi

Synthesis and anti-proliferative assessment of triazolo-thiadiazepine and triazolo-thiadiazine scaffolds

Boraei, Ahmed T.A.,Ghabbour, Hazem A.,Gomaa, Mohamed S.,El Ashry, El Sayed H.,Barakat, Assem

, (2019/12/27)

A series of triazolo-thiadiazepines 4a-k were synthesized with excellent yields using dehydrated PTSA as a catalyst in toluene. Two triazolo-thiadiazines were obtained; 8a was formed directly by reflux in ethanol, whereas, PTSA promoted the formation of 8

Synthesis, characterization and biological applications of some substituted pyrazoline based palladium (II) compounds

Thakor, Khyati P.,Lunagariya, Miral V.,Bhatt, Bhupesh S.,Patel, Mohan N.

, (2018/09/06)

Palladium (II) complexes of the type [PdLCl2] (where L?=?substituted pyrazoline ligands) have been synthesized. The metal complexes (5a-5f) have been characterized by various spectroscopic and analytical techniques like 1H-NMR,

Synthesis, molecular modeling, and biological evaluation of 4-[5-aryl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl] benzenesulfonamides toward acetylcholinesterase, carbonic anhydrase I and II enzymes

Yamali, Cem,Gul, Halise Inci,Ece, Abdulilah,Taslimi, Parham,Gulcin, Ilhami

, p. 854 - 866 (2017/12/13)

In this study, 4-[5-aryl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl] benzenesulfonamides were synthesized, and inhibition effects on AChE, hCA I, and hCA II were evaluated. Ki values of the compounds toward hCA I were in the range of 24.2?±?4.6-49.8?±?12.8?nm, while they were in the range of 37.3?±?9.0-65.3?±?16.7?nm toward hCA II. Ki values of the acetazolamide were 282.1?±?19.7?nm and 103.60?±?27.6?nm toward both isoenzymes, respectively. The compounds inhibited AChE with Ki in the range of 22.7?±?10.3-109.1?±?27.0?nm, whereas the tacrine had Ki value of 66.5?±?13.8?nm. Electronic structure calculations at M06-L/6-31?+?G(d,p)//AM1 level and molecular docking studies were also performed to enlighten inhibition mechanism and to support experimental findings. Results obtained from calculations of molecular properties showed that the compounds obey drug-likeness properties. The experimental and computational findings obtained in this study might be useful in the design of novel inhibitors against hCA I, hCA II, and AChE.

Fighting against alzheimer’s disease: Synthesis of new pyrazoline and benzothiazole derivatives as new acetylcholinesterase and MAO inhibitors

Turan-Zitouni, Gülhan,Hussein, Weiam,Sa?l?k, Begüm Nurpelin,Baysal, Merve,Kaplanc?kl?, Zafer As?m

, p. 414 - 427 (2018/04/20)

Background: Alzheimer’s Disease (AD) is a complicated neurodegenerative disorder with a multifaceted pathogenesis.AD, characterized by gradual memory loss, falling in language ability and other cognitive deterioration, and has been a prominent risk to ageing population. This means that there is an urgent need to find new lead compounds for controlling and fighting against (AD). In this way, a new thiophene-2-pyrazoline derivatives (A1-A5) and benzothiazole derivatives (A6-A13) have been synthesized to give beneficial compounds to controlling and battling against (AD). Results: Compounds A5 and A13 showed the most remarkable activity with an 18.53 μM and 15.26 μM IC50 values against AChE enzyme. In like manner, compound A4 was active with a 20.34 μM IC50 value against MAO-A. These active compounds are in fact non-toxic making them very attractive for additional future studies. Enzyme kinetic was analyzed and the Lineweaver-Burk plot reveals that compound A13 was typically mixed AChE inhibitors, which showed significant similarity to donepezil. In addition, the best docking pose was done by analyzing the docking pattern of the most active compound A13 which was very compatible with the gorge and in interaction with both CAS and PAS. Conclusion: The synthesis of new thiophene-2-pyrazoline and benzothiazole derivatives targeting AChE/(MAO-A)/(MAO-B) enzymes was described. The selection of enzyme-kinetic analysis, molecular docking and toxicity test was led to good understanding to the therapeutic potential for the active derivatives. Therefore, these compounds may be accepted as promising leads for future research efforts in fighting against AD.

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